Electronic Properties of Cluster Model of Magnesium Diboride-Carbon Nanotubes.

Research of structures based on magnesium diboride (MgB2) is an urgent problem in connection with their interesting physical properties and wide potential in industry. The most interesting structures are in a form of nanotubes considered in [1] and a combination of MgB2 with carbon nanotubes [2] (the latter compounds are more promising [3]). Therefore, electronic properties of various cluster models are studied in this paper: the cluster model of layers of MgB2, non-carbon nanotubes with atoms of MgB2. The cluster models of magnesium diboride structures and models of non-carbon nanotubes are presented. A band structure calculation of magnesium diboride-carbon tubes is performed. A comparative analysis of obtained results and literature data is shown. This paper discusses an issue of further ab initio calculations of the structures, such as fullerenes with a full content of B. [ABSTRACT FROM AUTHOR]